Secondary structure calculation program - copyright by David Keith Smith, 1989
1fqqA.pdb
1FQQ ANTIBIOTIC MOL_ID: 1; MOL_ID: 1;
Sequence length - 41
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 1 GLY G 0 0 999.9 -172.4 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 18
2 A 2 ILE I + 0 0 -13.5 114.6 -180.0 57.5 999.9 73.0 0 0.0 0 0.0 0 0.0 0 0.0 7 25
3 A 3 GLY G S S S+ 0 0 114.0 59.7 -180.0 103.9 80.3 41.9 0 0.0 0 0.0 0 0.0 0 0.0 11 33
4 A 4 ASP D S S S- 0 0 -149.8 -176.8 -180.0 -95.7 78.9 147.7 0 0.0 29 -1.5 0 0.0 0 0.0 12 31
5 A 5 PRO P S S S+ 0 0 -75.0 -42.8 -180.0 22.8 120.7 26.7 0 0.0 0 0.0 0 0.0 0 0.0 13 30
6 A 6 VAL V S h > > TS+ 0 0 -85.5 -72.9 180.0 49.1 123.3 19.2 0 0.0 9 -3.8 0 0.0 10 -1.0 9 29
7 A 7 THR T H H > 3 TS+ 0 0 -38.1 -29.2 -180.0 78.0 97.5 41.0 0 0.0 11 -1.2 0 0.0 0 0.0 10 27
8 A 8 CYS C H H 4 >>TS+ 0 0 -49.0 -44.9 180.0 42.3 97.1 26.2 0 0.0 13 -2.4 0 0.0 11 -0.8 16 35
9 A 9 LEU L H H 4 X5TS+ 0 0 -71.9 -30.1 180.0 68.1 102.6 36.8 6 -3.8 12 -2.2 0 0.0 0 0.0 10 29
10 A 10 LYS K H H < 35TS+ 0 0 -60.5 -21.7 -180.0 43.0 105.6 43.1 6 -1.0 0 0.0 0 0.0 0 0.0 8 24
11 A 11 SER S T h < <5TS- 0 0 -104.8 5.1 -180.0 -116.3 117.3 72.8 7 -1.2 0 0.0 8 -0.8 0 0.0 8 27
12 A 12 GLY G T T <5T + 0 0 67.1 17.4 -180.0 170.9 56.0 47.7 9 -2.2 0 0.0 0 0.0 0 0.0 7 30
13 A 13 ALA A t 5555< 5-turns
3-turns >3>X3<< 3-turns
bridge-2 BBB bridge-2
bridge-1 AAA BB*B AAA bridge-1
sheets AAA AAAA AAAA sheets
4-turns >>44<< 4-turns
summary SSShHHHHhTtEEESS SS EEEE SSSS EEEE summary
sequence GIGDPVTCLKSGAICHPVFCPRRYKQIGTCGLPGTKCCKKP sequence
10 20 30 40